BDBM416926 (+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl)(cyclopropyl-methylamino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide::US10329260, Compound 70a

SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F

InChI Key InChIKey=UXNXMBYCBRBRFD-UHFFFAOYSA-N

Data  2 KI  15 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 416926   

TargetPlasma kallikrein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataKi:  0.440nMAssay Description:Inhibition of purified human plasma kallikrein assessed as inhibition constant using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPlasma kallikrein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataKi:  25.1nMAssay Description:The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPlasma kallikrein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 14nMAssay Description:Inhibition of endogenous human plasma kallikrein using Z-Phe-Arg-AMC.HCl as substrate measured after 5 mins by microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPlasma kallikrein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 5.80nMAssay Description:Inhibition of endogenous human plasma kallikrein using Z-Phe-Arg-AMC.HCl as substrate measured after 5 mins by microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPlasma kallikrein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 48nMAssay Description:Inhibition of endogenous human plasma kallikrein using Z-Phe-Arg-AMC.HCl as substrate measured after 5 mins by microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine protease 1/Trypsin-2/Trypsin-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human trypsin using Nalpha-Benzoyl-L-Arginine p-nitroaniline as substrate measured after 5 mins by plate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProthrombin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human thrombin using Nalpha-Benzoyl-Phe-Val-Arg p-nitroaniline as substrate measured after 5 mins by plate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPlasminogen(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 3.97E+3nMAssay Description:Inhibition of human plasmin using Z-Lys-SBzl as substrate measured immediately by plate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTissue-type plasminogen activator(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant human tPA using H-D-Isoleucyl-L-prolyl-L-arginine p-nitroaniline dihydrochloride as substrate measured after 5 mins by plat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetAdenomatous polyposis coli protein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human APC using pyroGlu-Pro-Arg-p-nitroaniline-HCl as substrate measured after 5 mins by plate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetComplement C1s subcomponent(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human C1s using Z-Lyc-SBzl as substrate measured immediately by plate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCoagulation factor X(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human factor 10a using N-a-Benzyloxycarbonyl-D-arginyl-L-glycyl-L-arginine-pnitroaniline-dihydrochloride as substrate measured after 5 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCoagulation factor XII(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human factor 12a using D-prolyl-L-phenylalanyl-L-arginine-p-nitroaniline as substrate measured after 5 mins by plate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPlasma kallikrein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant human tissue kallikrein using Boc-Val-Pro-Arg-AMC as substrate measured after 5 mins by plate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPlasma kallikrein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 14nMAssay Description:Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPlasma kallikrein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 0.880nMAssay Description:Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPlasma kallikrein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM416926((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB